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# deep learning # Install with conda # torch>=2.0 # torch_geometric lightning>=2.0 torchmetrics transformers scikit-learn dgl dgllife # configuration and utilities hydra-core hydra-colorlog hydra-optuna-sweeper hydra-submitit-launcher pandas pre-commit rich pytest tensorboard # model-specific requirements subword-nmt # MolTrans tape_proteins # TransformerCPI2 fair-esm # CoaDTI-pro # apex # recommended by TAPE-BERT # feature extraction rdkit mordred networkx>=3.0 mhfp # tmap |